2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

C13H18F3N3O — CID 79869081

IUPAC2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCCCCNc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C13H18F3N3O/c1-2-3-4-5-8-18-12-9(11(17)20)6-7-10(19-12)13(14,15)16/h6-7H,2-5,8H2,1H3,(H2,17,20)(H,18,19)
InChIKeyNKMHSYFLACLKFS-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.19
Rot. Bonds7

About 2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide

2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79869081) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79869081
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCCCCNc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C13H18F3N3O/c1-2-3-4-5-8-18-12-9(11(17)20)6-7-10(19-12)13(14,15)16/h6-7H,2-5,8H2,1H3,(H2,17,20)(H,18,19)
InChIKeyNKMHSYFLACLKFS-UHFFFAOYSA-N
XLogP3.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79877730
2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868797
2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869543
2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875486
2-[(2-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79876734
2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 107319679
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106277197
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869612
2-[2-[methyl(propan-2-yl)amino]ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875508
2-pentoxy-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869695
2-(2-butoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876203
2-(2,3-dimethylbutylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868802

Frequently Asked Questions

What is the IUPAC name of 2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79869081) is 2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is CCCCCCNc1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is NKMHSYFLACLKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-2-3-4-5-8-18-12-9(11(17)20)6-7-10(19-12)13(14,15)16/h6-7H,2-5,8H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79869081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).